Glycoside
GD120258
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3-hydroxy-2,6,7-trimethyl-8-oxotricyclo[5.2.2.0¹,âµ]undecane-6-carboxylateFormula:
C21H32O9Smiles:
CC1C(O)CC2C13CCC(C)(C(=O)C3)C2(C)C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC1C(O)CC2C13CCC(C)(C(=O)C3)C2(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD48285
Formula: C15H22O4
Smiles:
CC1C(O)CC2C13CCC(C)(C(=O)C3)C2(C)C(=O)O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
